N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide

C26H27N5O2S — CID 20713987

IUPACN-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C26H27N5O2S/c1-2-3-15-23-30-24-25(20-12-6-7-13-21(20)29-26(24)27)31(23)17-16-28-34(32,33)22-14-8-10-18-9-4-5-11-19(18)22/h4-14,28H,2-3,15-17H2,1H3,(H2,27,29)
InChIKeyUIKBOMYGOQNFPH-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.64
Rot. Bonds8

About N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide

N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 20713987) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID20713987
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC NameN-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCNS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C26H27N5O2S/c1-2-3-15-23-30-24-25(20-12-6-7-13-21(20)29-26(24)27)31(23)17-16-28-34(32,33)22-14-8-10-18-9-4-5-11-19(18)22/h4-14,28H,2-3,15-17H2,1H3,(H2,27,29)
InChIKeyUIKBOMYGOQNFPH-UHFFFAOYSA-N
XLogP4.64
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2,6-difluorobenzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide
CID 160694543
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-4-methylsulfonylbenzenesulfonamide
CID 20613699
3-amino-2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide
CID 68799279
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 18331177
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-N-methylmethanesulfonamide
CID 70976292
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]benzenesulfonamide;N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-5-bromo-2-methoxybenzenesulfonamide
CID 161181757
3-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]benzenesulfonamide;hydrochloride
CID 22491707
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide (CID 20713987) is N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCNS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is UIKBOMYGOQNFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-2-3-15-23-30-24-25(20-12-6-7-13-21(20)29-26(24)27)31(23)17-16-28-34(32,33)22-14-8-10-18-9-4-5-11-19(18)22/h4-14,28H,2-3,15-17H2,1H3,(H2,27,29).
What are the key properties of N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide?
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 473.60 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 20713987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).